Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole
TL;DR: Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole (CAS 5605-90-3) is a chemical compound with molecular formula C21H17FN2O4S and molecular weight 412.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole
Also Known As: BIM-0025696.P001, benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole, 4-[5-(4-FLUOROPHENYL)-1,3-OXAZOL-2-YL]-1-METHYLPYRIDIN-1-IUM BENZENESULFONATE, benzenesulfonate; 5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole
| Molecular Formula | C21H17FN2O4S |
|---|---|
| Molecular Weight | 412.09 g/mol |
| LogP | 3.5629 |
| Topological Polar Surface Area | 87.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.0893 |
| Heavy Atoms | 29 |
| Complexity | 1113.6053 |
Chemical Identifiers
| CAS Number | 5605-90-3 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC=C(C=C3)F.C1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole (CAS 5605-90-3), with molecular formula C21H17FN2O4S and molecular weight 412.09 g/mol. IUPAC: benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole.
Chemical Property Profile of Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole
Property Insights of Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole
The XLogP value of 3.5629 indicates that Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole. Following Lipinski's Rule of Five, Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole?
The CAS number of Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole is 5605-90-3.
What is the molecular formula of Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole?
The molecular formula of Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole is C21H17FN2O4S.
What is the molecular weight of Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole?
The molecular weight of Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole is 412.09 g/mol.
Where can I buy Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole?
You can request a quote for Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonate;5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.